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NCID-ZINC05566822

 MMsINC code: MMs02475689
Type: Neutral
Formula: C24H44O6
SMILES:   O=C1C(=O)C(CCCCCCCCC1(CCCO)CCCO)(CCCO)CCCO
InChI:   InChI=1/C24H44O6/c25-17-7-13-23(14-8-18-26)11-5-3-1-2-4-6-12-24(15-9-19-27,16-10-20-28)22(30)21(23)29/h25-28H,1-20H2

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Potential Energy
Epot(MMFF94)=163.857 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 428.61 g/mol  logS: -3.96302  SlogP: 3.3218  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.263211  Sterimol/B1: 2.51644  Sterimol/B2: 4.17151  Sterimol/B3: 4.27764
  Sterimol/B4: 11.6949  Sterimol/L: 15.7353 
 
 Surface and Volume Properties
  Accessible surface: 685.64  Positive charged surface: 549.187  Negative charged surface: 136.454  Volume: 440.875
  Hydrophobic surface: 468.353  Hydrophilic surface: 217.287
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.